N6-(1,3-benzodioxol-5-yl)-N4-naphthalen-1-yl-pyrimidine-4,5,6-triamine

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-naphthalen-1-yl-pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-(1-naphthyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-(1-naphthalenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(1-naphthyl)amine Formula: C21H17N5O2 MolecularWeight: 371.39198

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NC4=CC=CC5=CC=CC=C54)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NC4=CC=CC5=CC=CC=C54)N

InChI

InChI=1S/C21H17N5O2/c22-19-20(25-14-8-9-17-18(10-14)28-12-27-17)23-11-24-21(19)26-16-7-3-5-13-4-1-2-6-15(13)16/h1-11H,12,22H2,(H2,23,24,25,26)